Crystallography Open Database

Information card for entry 1554054

Preview

Coordinates	1554054.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(G3)1:LiPF6
Formula	C8 H18 F6 Li O4 P
Calculated formula	C8 H18 F6 Li O4 P
Title of publication	Solvate Structures and Computational/Spectroscopic Characterization of LiPF6 Electrolytes
Authors of publication	Han, Sang-Don; Yun, Sung-Hyun; Borodin, Oleg; Seo, Daniel M.; Sommer, Roger D.; Young, Victor G.; Henderson, Wesley A.
Journal of publication	The Journal of Physical Chemistry C
Year of publication	2015
Journal volume	119
Journal issue	16
Pages of publication	8492
a	6.1967 ± 0.0015 Å
b	12.558 ± 0.003 Å
c	18.169 ± 0.004 Å
α	90°
β	95.745 ± 0.003°
γ	90°
Cell volume	1406.8 ± 0.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.036
Residual factor for significantly intense reflections	0.0306
Weighted residual factors for significantly intense reflections	0.0726
Weighted residual factors for all reflections included in the refinement	0.0753
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
236506 (current)	2019-11-24	cif/ Adding structures of 1554054, 1554055 via cif-deposit CGI script.	1554054.cif